1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone

C15H20FNO4S — CID 11336441

IUPAC1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](CF)[C@@H](c2ccc(S(C)(=O)=O)cc2)OC1(C)C
InChIInChI=1S/C15H20FNO4S/c1-10(18)17-13(9-16)14(21-15(17,2)3)11-5-7-12(8-6-11)22(4,19)20/h5-8,13-14H,9H2,1-4H3/t13-,14-/m1/s1
InChIKeyAFRFOKAVSLBXSP-ZIAGYGMSSA-N
MW329.39 g/mol
LogP2.08
Rot. Bonds3

About 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone

1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone (PubChem CID 11336441) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone
PubChem CID11336441
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](CF)[C@@H](c2ccc(S(C)(=O)=O)cc2)OC1(C)C
InChIInChI=1S/C15H20FNO4S/c1-10(18)17-13(9-16)14(21-15(17,2)3)11-5-7-12(8-6-11)22(4,19)20/h5-8,13-14H,9H2,1-4H3/t13-,14-/m1/s1
InChIKeyAFRFOKAVSLBXSP-ZIAGYGMSSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone (CID 11336441) is 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone is CC(=O)N1[C@H](CF)[C@@H](c2ccc(S(C)(=O)=O)cc2)OC1(C)C.
What is the InChIKey of 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is AFRFOKAVSLBXSP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-10(18)17-13(9-16)14(21-15(17,2)3)11-5-7-12(8-6-11)22(4,19)20/h5-8,13-14H,9H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone?
1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 329.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 11336441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).